(Z)-N-[6-[(2E,4E)-5-[(4R,7S)-4-hydroxy-7-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methoxypent-2-enamide

C32H50N2O8 — CID 134550186

About (Z)-N-[6-[(2E,4E)-5-[(4R,7S)-4-hydroxy-7-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methoxypent-2-enamide

(Z)-N-[6-[(2E,4E)-5-[(4R,7S)-4-hydroxy-7-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methoxypent-2-enamide (PubChem CID 134550186) has the molecular formula C32H50N2O8 and a molecular weight of 590.76 g/mol. Its IUPAC name is (Z)-N-[6-[(2E,4E)-5-[(4R,7S)-4-hydroxy-7-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methoxypent-2-enamide.

Molecular Properties

• Compound Name: (Z)-N-[6-[(2E,4E)-5-[(4R,7S)-4-hydroxy-7-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methoxypent-2-enamide
• PubChem CID: 134550186
• Molecular Formula: C32H50N2O8
• Molecular Weight: 590.76 g/mol
• Exact Mass: 590.36
• IUPAC Name: (Z)-N-[6-[(2E,4E)-5-[(4R,7S)-4-hydroxy-7-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methoxypent-2-enamide
• SMILES: COC(C)/C=C\C(=O)NC1CC(C)C(C/C=C(C)/C=C/C2O[C@H](CC(=O)N3CCC(O)CC3)CC3(CO3)[C@@H]2O)OC1C
• InChI: InChI=1S/C32H50N2O8/c1-20(6-9-27-21(2)16-26(23(4)41-27)33-29(36)11-8-22(3)39-5)7-10-28-31(38)32(19-40-32)18-25(42-28)17-30(37)34-14-12-24(35)13-15-34/h6-8,10-11,21-28,31,35,38H,9,12-19H2,1-5H3,(H,33,36)/b10-7+,11-8-,20-6+/t21?,22?,23?,25-,26?,27?,28?,31-,32?/m1/s1
• InChIKey: CRRXBIRAXMSQAQ-FMNOTTSNSA-N
• XLogP: 2.43
• TPSA: 130.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.76
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[6-[(2E,4E)-5-[(4R,7S)-4-hydroxy-7-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methoxypent-2-enamide?

The IUPAC name of (Z)-N-[6-[(2E,4E)-5-[(4R,7S)-4-hydroxy-7-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methoxypent-2-enamide (CID 134550186) is (Z)-N-[6-[(2E,4E)-5-[(4R,7S)-4-hydroxy-7-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methoxypent-2-enamide.

What is the SMILES notation for (Z)-N-[6-[(2E,4E)-5-[(4R,7S)-4-hydroxy-7-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methoxypent-2-enamide?

The canonical SMILES for (Z)-N-[6-[(2E,4E)-5-[(4R,7S)-4-hydroxy-7-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methoxypent-2-enamide is COC(C)/C=C\C(=O)NC1CC(C)C(C/C=C(C)/C=C/C2O[C@H](CC(=O)N3CCC(O)CC3)CC3(CO3)[C@@H]2O)OC1C.

What is the InChIKey of (Z)-N-[6-[(2E,4E)-5-[(4R,7S)-4-hydroxy-7-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methoxypent-2-enamide?

The InChIKey is CRRXBIRAXMSQAQ-FMNOTTSNSA-N. The full InChI is InChI=1S/C32H50N2O8/c1-20(6-9-27-21(2)16-26(23(4)41-27)33-29(36)11-8-22(3)39-5)7-10-28-31(38)32(19-40-32)18-25(42-28)17-30(37)34-14-12-24(35)13-15-34/h6-8,10-11,21-28,31,35,38H,9,12-19H2,1-5H3,(H,33,36)/b10-7+,11-8-,20-6+/t21?,22?,23?,25-,26?,27?,28?,31-,32?/m1/s1.

What are the key properties of (Z)-N-[6-[(2E,4E)-5-[(4R,7S)-4-hydroxy-7-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methoxypent-2-enamide?

(Z)-N-[6-[(2E,4E)-5-[(4R,7S)-4-hydroxy-7-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methoxypent-2-enamide has a molecular weight of 590.76 g/mol, XLogP of 2.43, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-[6-[(2E,4E)-5-[(4R,7S)-4-hydroxy-7-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methoxypent-2-enamide is sourced from PubChem (CID 134550186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).